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Lophophorine

CAT: 0804-HY-119478Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-119478Size:1 Each
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Description
Lophophorine is a natural alkaloid compound[1].
CAS Number
17627-78-0
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/lophophorine.html
Smiles
C[C@H]1C2=C(CCN1C)C=C(OC)C3=C2OCO3
Molecular Formula
C13H17NO3
Molecular Weight
235.28
References & Citations
[1]J G Bruhn, et al. Peyote alkaloids: identification in a prehistoric specimen of lophophora from coahuila, Mexico. Science. 1978 Mar 31;199 (4336) :1437-8.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(9S)-6,7,8,9-Tetrahydro-4-methoxy-8,9-dimethyl-1,3-dioxolo(4,5-h)isoquinoline

Lophophorine is a member of isoquinolines.

CAS Number17627-78-0
PubChem CID442315
IUPAC Name(9S)-4-methoxy-8,9-dimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinoline
Molecular FormulaC13H17NO3
Molecular Weight235.28
XLogP2
Topological Polar Surface Area30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity286
SMILES
C[C@H]1C2=C3C(=C(C=C2CCN1C)OC)OCO3
InChI
InChI=1S/C13H17NO3/c1-8-11-9(4-5-14(8)2)6-10(15-3)12-13(11)17-7-16-12/h6,8H,4-5,7H2,1-3H3/t8-/m0/s1
InChIKey
PNFBXEKHLUDPIM-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of (9S)-6,7,8,9-Tetrahydro-4-methoxy-8,9-dimethyl-1,3-dioxolo(4,5-h)isoquinoline
CAS: 17627-78-0
CID: 442315
Formula: C13H17NO3
MW: 235.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.28
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass235.12084340
Monoisotopic Mass235.12084340
Topological Polar Surface Area30.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity286
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5782434-01Lophophorine HCl

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